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20022026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

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Showing 2015 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2015★ 113 cited

Thermal boundary conductance across rough interfaces probed by molecular dynamics

Samy Merabia, Konstantinos Termentzidis

In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a tran…

cond-mat.mtrl-sci2015★ 1.5k cited

Distribution of phonon lifetime in Brillouin zone

Atsushi Togo, Laurent Chaput, Isao Tanaka

Lattice thermal conductivities of zincblende- and wurtzite-type compounds with 33 combinations of elements are calculated with the single-mode relaxation-time approximation and lin…